Brief Information of the Compound and Protein
Compound Name
6-[6-butoxy-5-(hydroxymethyl)-2-(2-hydroxy-2-methylpropoxy)pyridin-3-yl]pyridine-3-sulfonamide
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Canonical SMILES
CCCCOc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cn1)S(N)(=O)=O
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Compound Formula C19H27N3O6S
Compound Structure
Protein Name
Prostaglandin G/H synthase 2
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P35354
Gene Name
PTGS2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 230 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 450 nM
2 Ki = 19 nM